4,4-Piperidinediol hydrochloride supplier

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Name
4,4-Piperidinediol hydrochloride
EINECS 254-779-9
CAS No. 40064-34-4
Article Data2
CAS DataBase
Density
Solubility Soluble in water.
Melting Point 97-99 °C
Formula C₅H₁₁NO₂^.HCl
Boiling Point 256.8 °C at 760 mmHg
Molecular Weight 153.609
Flash Point 147.9 °C
Transport Information
Appearance white crystalline solid
Safety 26-36-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2,3,5,6-tetrahydropyridin-4-one;Piperonylamine;Piperidone HCL;4,4-Dihydroxypiperidine hydrochloride;4-Pieridone monohydrochloride;
PSA 52.49000
LogP 0.18150

Synthetic route

: piperidin-4-one; hydrochloride sesquiethylate

: 40064-34-4
4-piperidone monohydrochloride monohydrate

Conditions

Conditions	Yield
With hydrogenchloride; water

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 6092-80-4
phenoxyamine hydrochloride

: 49540-52-5
1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In isopropyl alcohol	100%

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 149-73-5
trimethyl orthoformate

: 77542-16-6
4,4-dimethoxypiperidine monohydrochloride

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In methanol at 20℃; for 22h;	100%

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 76-83-5
trityl chloride

: 112257-60-0
1-triphenylmethyl-4-piperidone

Conditions

Conditions	Yield
With triethylamine In N-methyl-acetamide; water	98.3%
With triethylamine In N,N-dimethyl-formamide at 60℃; for 5h;	70.2%

: 24424-99-5
di-tert-butyl dicarbonate

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane; water for 12h; Cooling with ice;	94%
With sodium hydroxide In 1,4-dioxane	92.5%
With triethylamine In dichloromethane; ethyl acetate	86%

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 497-19-8
sodium carbonate

: 1514-96-1
4-chloro-2-(trifluoromethyl)pyrimidine

: 1-[2-(Trifluoromethyl)-4-pyrimidinyl]-4-piperidone

Conditions

Conditions	Yield
In dichloromethane	92%

...Expand

: 61380-07-2
2-(thiophen-2-yl)ethyl methanesulfonate

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 92065-14-0
N-[2-(2-thienyl)ethyl]-4-piperidinone

Conditions

Conditions	Yield
Stage #1: 4-piperidone monohydrochloride monohydrate With N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate In acetonitrile at 60℃; for 1h; Stage #2: 2-(thiophen-2-yl)ethyl methanesulfonate In acetonitrile at 80℃; for 24h; Reagent/catalyst;	90%

: 51417-51-7
7-bromo-1H-indole

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 312631-09-7
7-bromo-3-piperidin-4-yl-1H-indole

Conditions

Conditions	Yield
	89%

: 2219-51-4
[1,1,2,2-(2)H4]ethane-1,2-diol

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 84376-17-0
2,2,3,3-tetradeutero-1,4-dioxa-8-azaspiro<4,5>decane

Conditions

Conditions	Yield
In benzene for 48h; Heating;	88%

: C16H15FO2

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 1-[2′-(2-fluoroethyl)-2-methylbiphenyl-4-carbonyl]-piperidin-4-one

Conditions

Conditions	Yield
Stage #1: C16H15FO2 With 4-methyl-morpholine; 1-[(1-(cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino)]-uronium hexafluorophosphate In N,N-dimethyl-formamide for 0.166667h; Cooling with ice; Stage #2: 4-piperidone monohydrochloride monohydrate In N,N-dimethyl-formamide at 0 - 20℃;	88%

: 5825-45-6
1-amino-1,2,3,4-tetrahydroquinoline

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 5,6,8,9,10,11-hexahydro-4H-pyrido[3',4':4,5]pyrrolo[3,2,1-ij]quinoline

Conditions

Conditions	Yield
With hydrogenchloride	85%

: 5825-45-6
1-amino-1,2,3,4-tetrahydroquinoline

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 5,6,8,9,10,11-hexahydro-4H-pyrido[3',4':4,5]pyrrolo[3,2,1-ij]quinoline; hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In ethanol for 3h; Reflux;	85%

: 20667-05-4
2-methyl-1,2-pentanediol

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 4-piperidone 2-propylpropyleneacetal

Conditions

Conditions	Yield
With p-toluenesulfonic acid monohydrate In toluene	84%

: 448-19-1
4-fluoro-2-methoxy-1-nitrobenzene

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 761440-64-6
1-(3-methoxy-4 nitrophenyl)piperidin-4-one

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In acetonitrile at 80℃; Inert atmosphere;	84%

: 1006-94-6
5-methoxylindole

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 52157-82-1
4-(5-methoxy-1H-indol-3-yl)piperidine

Conditions

Conditions	Yield
	83%

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 41840-28-2
S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine

: 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane; water for 6h; Ambient temperature;	81.3%

: 5-(bromomethyl)-2-(2-nitrophenyl)benzo[d]oxazole

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 1-((2-(2-nitrophenyl)benzo[d]oxazol-5-yl)methyl)piperidin-4-one

Conditions

Conditions	Yield
With acetic anhydride; potassium carbonate In acetonitrile at 20℃; for 5h;	81.2%

: 19335-11-6
1H-indazol-5-ylamine

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 144-55-8
sodium hydrogencarbonate

: 611-19-8
1-chloro-2-(chloromethyl)benzene

: N-[1-(2-Chlorobenzyl)-4-piperidyl]-N-(1H-5 indazolyl)amine

Conditions

Conditions	Yield
With potassium carbonate; acetic acid In methanol; acetonitrile	80%

...Expand

: 19335-11-6
1H-indazol-5-ylamine

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 144-55-8
sodium hydrogencarbonate

: 352-11-4
1-chloromethyl-4-fluorobenzene

: N-[1-(4-Fluorobenzyl)-4-piperidyl]-N-(1H-5-indazolyl)amine

Conditions

Conditions	Yield
With potassium carbonate; acetic acid In methanol; acetonitrile	79%

...Expand

: 19335-11-6
1H-indazol-5-ylamine

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 144-55-8
sodium hydrogencarbonate

: 620-20-2
1-Chloro-3-chloromethyl-benzene

: N-[1-(3-Chlorobenzyl)-4-piperidyl]-N-(1H-5-indazolyl)amine

Conditions

Conditions	Yield
With potassium carbonate In methanol; acetonitrile	79%

...Expand

: 19335-11-6
1H-indazol-5-ylamine

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 144-55-8
sodium hydrogencarbonate

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: N-[1-(4-Chlorobenzyl)-4-piperidyl]-N-(1H-5-indazolyl)amine

Conditions

Conditions	Yield
With potassium carbonate; acetic acid In methanol; acetonitrile	79%

...Expand

: 23468-31-7
6-chloropiperonyl chloride

: 19335-11-6
1H-indazol-5-ylamine

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 144-55-8
sodium hydrogencarbonate

: N-{1-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-4-piperidyl}-N-(1H-5-indazolyl)amine

Conditions

Conditions	Yield
With potassium carbonate; acetic acid In methanol; acetonitrile	78%

...Expand

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 87-42-3
6-chloro-7H-purine

: 1-(purin-6-yl)piperidin-4-one

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 50℃; for 2h;	77%

: 19335-11-6
1H-indazol-5-ylamine

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 144-55-8
sodium hydrogencarbonate

: 104-82-5
4-Methylbenzyl chloride

: N-(1H-5-Indazolyl)-N-[1-(4-methylbenzyl)-4-piperidyl]amine

Conditions

Conditions	Yield
With potassium carbonate; acetic acid In methanol; acetonitrile	76%

...Expand

: 50709-33-6
2-bromophenylhydrazine hydrochloride

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 1059630-11-3
6-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloric acid salt

Conditions

Conditions	Yield
With hydrogenchloride In ethanol for 6h; Reflux; Inert atmosphere;	76%

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 5451-40-1
2,6-dichloro-7H-purine

: 1-(2-chloropurin-6-yl)piperidin-4-one

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol at 60℃; for 2h;	76%

: 19335-11-6
1H-indazol-5-ylamine

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 144-55-8
sodium hydrogencarbonate

: 836-42-0
4-benzyloxybenzyl chloride

: N-{1-[4-(Benzyloxy)benzyl]-4-piperidyl}-N-(1H-5-indazolyl)amine

Conditions

Conditions	Yield
With potassium carbonate; acetic acid In methanol; acetonitrile	75%

...Expand

: 19335-11-6
1H-indazol-5-ylamine

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 144-55-8
sodium hydrogencarbonate

: 824-94-2
p-methoxybenzyl chloride

: N-(1H-5-Indazolyl)-N-[1-(4-methoxybenzyl)-4-piperidyl]amine

Conditions

Conditions	Yield
With potassium carbonate; acetic acid In methanol; acetonitrile	74%

...Expand

: 948-65-2
2-phenyl-indole

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 221109-25-7
2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

Conditions

Conditions	Yield
With phosphoric acid In acetic acid; ethyl acetate	73%

: 92259-86-4
1-amino-2,3-dihydroindole hydrochloride

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 313666-86-3
4,5,7,8,9,10-hexahydropyrido[4,3-b]pyrrolo[3,2,1-hi]indole

Conditions

Conditions	Yield
In isopropyl alcohol for 4h; Reflux;	73%

: 40064-34-4
4-piperidone monohydrochloride monohydrate

: 72482-64-5
2,4-difluorobenzoyl chloride

: 4-(2,4-difluorobenzoyl)piperidinone

Conditions

Conditions	Yield
With triethylamine In dichloromethane	71%

4,4-Piperidinediol hydrochloride Chemical Properties

MF: C₅H₁₂ClNO₂
MW: 153.61
EINECS: 254-779-9
4-PIPERIDONE HYDRATE HYDROCHLORIDE(40064-34-4),its melting point is about 97-99 °C;appearance is White Crystalline Solid.
Following is the molecular structure of 4-PIPERIDONE HYDRATE HYDROCHLORIDE(40064-34-4):

4,4-Piperidinediol hydrochloride Uses

4-PIPERIDONE HYDRATE HYDROCHLORIDE can be used in Synthesis pharmaceutical intermediates and API etc.

4,4-Piperidinediol hydrochloride Safety Profile

Safty informations about 4-PIPERIDONE HYDRATE HYDROCHLORIDE(40064-34-4):
Hazard Codes : Xi (Irritant)
Risk Statements :
R36/37/38 (Irritating to eyes, respiratory system and skin )
Safety Statements :
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36:Wear suitable protective clothing
S37/39 :Wear suitable gloves and eye/face protection
WGK Germany :3

4,4-Piperidinediol hydrochloride Specification

The 4-Piperidone hydrate hydrochloride, with the CAS registry number 40064-34-4, is also known as 4-Pieridone hydrochloride monohydrate. It belongs to the product categories of Nitrogen cyclic compounds; Amines and Anilines; Carbonyl Compounds; Miscellaneous; Piperidine; Miscellaneous Reagents; Building Blocks; Heterocyclic Building Blocks; Piperidones. Its EINECS registry number is 254-779-9. This chemical's molecular formula is C₅H₁₁NO₂^.HCl and molecular weight is 153.61. Its IUPAC name is called piperidin-4-one hydrate hydrochloride. In addition, it is white crystalline solid which should be sealed in cool, dry place.

Physical properties of 4-Piperidone hydrate hydrochloride: (1)ACD/LogP: -0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.68; (4)ACD/LogD (pH 7.4): -2.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Flash Point: 84.6 °C; (13)Melting Point: 97-99 °C; (14)Enthalpy of Vaporization: 41.14 kJ/mol; (15)Boiling Point: 175.1 °C at 760 mmHg; (16)Vapour Pressure: 1.17 mmHg at 25°C.

Uses of 4-Piperidone hydrate hydrochloride: it can be used to produce 3-(1,2,3,6-tetrahydro-pyridin-4-yl)-indole. This reaction will need reagent 2N KOH and solvent methanol with reaction time of 8.5 hours. The yield is about 55%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNCCC1=O.O.Cl
(2)InChI: InChI=1S/C5H9NO.ClH.H2O/c7-5-1-3-6-4-2-5;;/h6H,1-4H2;1H;1H2
(3)InChIKey: SXWRTZOXMUOJER-UHFFFAOYSA-N

Product Name

4,4-Piperidinediol hydrochloride

Synthetic route

4,4-Piperidinediol hydrochloride Chemical Properties

4,4-Piperidinediol hydrochloride Uses

4,4-Piperidinediol hydrochloride Safety Profile

4,4-Piperidinediol hydrochloride Specification

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